CID 46739231

2-(n,n-dimethylaminomethyl)phenylboronic acid, pinacol ester

Structural Information

Molecular Formula
C15H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CN(C)C
InChI
InChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-8-7-9-12(13)11-17(5)6/h7-10H,11H2,1-6H3
InChIKey
FYNFIFQXALVLHC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

261.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19728 157.8
[M+Na]+ 284.17922 165.8
[M-H]- 260.18272 167.7
[M+NH4]+ 279.22382 178.7
[M+K]+ 300.15316 166.9
[M+H-H2O]+ 244.18726 152.8
[M+HCOO]- 306.18820 179.7
[M+CH3COO]- 320.20385 203.2
[M+Na-2H]- 282.16467 162.7
[M]+ 261.18945 162.1
[M]- 261.19055 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe